3-[[(3R)-3-(ethoxymethyl)-3-(thiophen-2-yloxymethyl)pyrrolidin-1-yl]methyl]-2-methylpyridine

C19H26N2O2S — CID 167358488

IUPAC3-[[(3R)-3-(ethoxymethyl)-3-(thiophen-2-yloxymethyl)pyrrolidin-1-yl]methyl]-2-methylpyridine
SMILESCCOC[C@@]1(COc2cccs2)CCN(Cc2cccnc2C)C1
InChIInChI=1S/C19H26N2O2S/c1-3-22-14-19(15-23-18-7-5-11-24-18)8-10-21(13-19)12-17-6-4-9-20-16(17)2/h4-7,9,11H,3,8,10,12-15H2,1-2H3/t19-/m1/s1
InChIKeyYSEHIMAPBINGDV-LJQANCHMSA-N
MW346.50 g/mol
LogP3.76
Rot. Bonds8

About 3-[[(3R)-3-(ethoxymethyl)-3-(thiophen-2-yloxymethyl)pyrrolidin-1-yl]methyl]-2-methylpyridine

3-[[(3R)-3-(ethoxymethyl)-3-(thiophen-2-yloxymethyl)pyrrolidin-1-yl]methyl]-2-methylpyridine (PubChem CID 167358488) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is 3-[[(3R)-3-(ethoxymethyl)-3-(thiophen-2-yloxymethyl)pyrrolidin-1-yl]methyl]-2-methylpyridine.

Molecular Properties

Compound Name3-[[(3R)-3-(ethoxymethyl)-3-(thiophen-2-yloxymethyl)pyrrolidin-1-yl]methyl]-2-methylpyridine
PubChem CID167358488
Molecular FormulaC19H26N2O2S
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC Name3-[[(3R)-3-(ethoxymethyl)-3-(thiophen-2-yloxymethyl)pyrrolidin-1-yl]methyl]-2-methylpyridine
SMILESCCOC[C@@]1(COc2cccs2)CCN(Cc2cccnc2C)C1
InChIInChI=1S/C19H26N2O2S/c1-3-22-14-19(15-23-18-7-5-11-24-18)8-10-21(13-19)12-17-6-4-9-20-16(17)2/h4-7,9,11H,3,8,10,12-15H2,1-2H3/t19-/m1/s1
InChIKeyYSEHIMAPBINGDV-LJQANCHMSA-N
XLogP3.76
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]methyl]-2,4-dimethylpyridine
CID 135323038
3-[[3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]methyl]pyridine
CID 135322514
4-[[3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]methyl]-1-methylpyrazole
CID 135322910
1-methyl-4-[(2-methyl-3-pyridinyl)methyl]piperazine
CID 71302088
2-methyl-3-(pyrrolidin-1-ylmethyl)pyridine
CID 130158747
1-[(2-bromophenyl)methyl]-4-[(2-methyl-3-pyridinyl)methyl]piperazine
CID 166601534
5-[1-[(3S)-3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine
CID 135330031
3-[[3-[2-(4-chlorophenyl)ethyl]-3-(ethoxymethyl)pyrrolidin-1-yl]methyl]pyridine
CID 135322793
4-(ethoxymethyl)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(2-thiophen-2-ylethyl)piperidine
CID 135323092
2-[[8-[(2-methoxy-3-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole;tris(2,2,2-trifluoroacetic acid)
CID 155840733
ethane;N-[[(3R)-3-(ethoxymethyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methyl]-N-methylaniline
CID 142429980
3-[[(3R)-3-(ethoxymethyl)-3-[2-(4-fluorophenyl)ethyl]pyrrolidin-1-yl]methyl]pyridine-4-carbonitrile
CID 175820952

Frequently Asked Questions

What is the IUPAC name of 3-[[(3R)-3-(ethoxymethyl)-3-(thiophen-2-yloxymethyl)pyrrolidin-1-yl]methyl]-2-methylpyridine?
The IUPAC name of 3-[[(3R)-3-(ethoxymethyl)-3-(thiophen-2-yloxymethyl)pyrrolidin-1-yl]methyl]-2-methylpyridine (CID 167358488) is 3-[[(3R)-3-(ethoxymethyl)-3-(thiophen-2-yloxymethyl)pyrrolidin-1-yl]methyl]-2-methylpyridine.
What is the SMILES notation for 3-[[(3R)-3-(ethoxymethyl)-3-(thiophen-2-yloxymethyl)pyrrolidin-1-yl]methyl]-2-methylpyridine?
The canonical SMILES for 3-[[(3R)-3-(ethoxymethyl)-3-(thiophen-2-yloxymethyl)pyrrolidin-1-yl]methyl]-2-methylpyridine is CCOC[C@@]1(COc2cccs2)CCN(Cc2cccnc2C)C1.
What is the InChIKey of 3-[[(3R)-3-(ethoxymethyl)-3-(thiophen-2-yloxymethyl)pyrrolidin-1-yl]methyl]-2-methylpyridine?
The InChIKey is YSEHIMAPBINGDV-LJQANCHMSA-N. The full InChI is InChI=1S/C19H26N2O2S/c1-3-22-14-19(15-23-18-7-5-11-24-18)8-10-21(13-19)12-17-6-4-9-20-16(17)2/h4-7,9,11H,3,8,10,12-15H2,1-2H3/t19-/m1/s1.
What are the key properties of 3-[[(3R)-3-(ethoxymethyl)-3-(thiophen-2-yloxymethyl)pyrrolidin-1-yl]methyl]-2-methylpyridine?
3-[[(3R)-3-(ethoxymethyl)-3-(thiophen-2-yloxymethyl)pyrrolidin-1-yl]methyl]-2-methylpyridine has a molecular weight of 346.50 g/mol, XLogP of 3.76, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3R)-3-(ethoxymethyl)-3-(thiophen-2-yloxymethyl)pyrrolidin-1-yl]methyl]-2-methylpyridine is sourced from PubChem (CID 167358488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).